SCHEMBL12202883

SCHEMBL12202883

CC(C)(OC=O)Oc1ccc(NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MAPT P10636 5/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ PPARA Q07869 3/20 0.43
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HDAC3 O15379 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12202885 0.86 HTT (0.47) MEN1KMT2ACYP1A2MAPTFFAR1
SCHEMBL12202889 0.86 FFAR1 (0.47) MEN1KMT2ACYP2C19CYP2C9MAPT
SCHEMBL12202894 0.85 PPARA (0.52) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL11449198 0.80 PPARA (0.68) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL12228620 0.80 PPARA (0.68) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL11459281 0.77 MEN1 (0.50) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL12202891 0.76 RXFP1 (0.51) MEN1KMT2ARAB9AMAPTPPARA
SCHEMBL16302944 0.76 PPARA (0.49) FFAR1PPARA
SCHEMBL22815828 0.76 HDAC1 (0.54) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL11449651 0.74 PPARA (0.55) MEN1KMT2ARAB9ACYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 — — US disclosed
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